N-hexyl-2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)acetamide

C18H34N2O — CID 22755860

IUPACN-hexyl-2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)acetamide
SMILESCCCCCCNC(=O)C=C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C18H34N2O/c1-7-8-9-10-11-19-16(21)12-15-13-17(2,3)20(6)18(4,5)14-15/h12H,7-11,13-14H2,1-6H3,(H,19,21)
InChIKeyZZBQZAOIBIEZOS-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.89
Rot. Bonds6

About N-hexyl-2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)acetamide

N-hexyl-2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)acetamide (PubChem CID 22755860) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is N-hexyl-2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)acetamide.

Molecular Properties

Compound NameN-hexyl-2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)acetamide
PubChem CID22755860
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC NameN-hexyl-2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)acetamide
SMILESCCCCCCNC(=O)C=C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C18H34N2O/c1-7-8-9-10-11-19-16(21)12-15-13-17(2,3)20(6)18(4,5)14-15/h12H,7-11,13-14H2,1-6H3,(H,19,21)
InChIKeyZZBQZAOIBIEZOS-UHFFFAOYSA-N
XLogP3.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)acetamide?
The IUPAC name of N-hexyl-2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)acetamide (CID 22755860) is N-hexyl-2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)acetamide.
What is the SMILES notation for N-hexyl-2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)acetamide?
The canonical SMILES for N-hexyl-2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)acetamide is CCCCCCNC(=O)C=C1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of N-hexyl-2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)acetamide?
The InChIKey is ZZBQZAOIBIEZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-7-8-9-10-11-19-16(21)12-15-13-17(2,3)20(6)18(4,5)14-15/h12H,7-11,13-14H2,1-6H3,(H,19,21).
What are the key properties of N-hexyl-2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)acetamide?
N-hexyl-2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)acetamide has a molecular weight of 294.48 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-(1,2,2,6,6-pentamethylpiperidin-4-ylidene)acetamide is sourced from PubChem (CID 22755860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).